MMsINC Database Search


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MMsINC code: MMs00443651

Type: Neutral
Formula: C₁₅H₁₁ClFN₃O₃S

SMILES:

Clc1cc(NC(=O)CN2c3c(scc3)C(=O)N(C)C2=O)ccc1F

InChI:

InChI=1/C15H11ClFN3O3S/c1-19-14(22)13-11(4-5-24-13)20(15(19)23)7-12(21)18-8-2-3-10(17)9(16)6-8/h2-6H,7H2,1H3,(H,18,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.3244 kcal/mol

Physical Properties
Molecular Weight: 367.788 g/mol	logS: -4.55829	SlogP: 3.1913	Reactive groups: 0

Topological Properties
Globularity: 0.107688	Sterimol/B1: 2.26186	Sterimol/B2: 3.8737	Sterimol/B3: 3.8826
Sterimol/B4: 8.32267	Sterimol/L: 15.6066

Surface and Volume Properties
Accessible surface: 550.647	Positive charged surface: 256.901	Negative charged surface: 293.747	Volume: 290.875
Hydrophobic surface: 445.552	Hydrophilic surface: 105.095

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.